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Scientific Software Services :: Chem/Bio Software :: Chem/Bio Molecular Modeling :: ChemXplor™ Suite

ChemXplor™ Suite #403

ChemXplor™ is a comprehensive chemoinformatics software with extensive facilities for querying and building large size compound databases. ChemXplor implements novel methodologies like fingerprint based and pharmacophore based searches for advanced applications.

Learn more about ChemXplor™ Suite

ChemXplor™ Suite included Tools

Vlife Engine™	Molsign™
ChemDBS™

The expanse of the chemical space is too vast to evaluate by mere experimental validation. ChemXplore makes it possible to explore large chemical canvas and arrive at better selection in lesser time. It also allows you to perform several types of search in to public and proprietary compound databases. ChemXplor comes with an interface with VLifeMDS Engine, ChemDBS and MolSign.

This allows you to access to all the basic operations like building, editing, visualizing molecule along with vast experience of conformational analysis and force field optimization. ChemXplor also generates the pharmacophore features and on the basis of these pharmacophore based search can be performed within the database. Refer to included Engine and MolSign module of VLifeMDS to know more about these features.

click on image to enlarge

Result of imidazole substructure searched in compound database

click on image to enlarge

Graphical representation of two descriptors relationship in terms of fitness plot

ChemXplor™ Salient Features

Facilities to build and customize your own databases in line with your research requirements

Saving every detail of the work, including templates, queries (search conditions) and search results from different data bases to avoid repetition of any part of the work

Extensive facilities for automatic checks for molecular consistency during database creation to avoid disconnected or faulty molecular structures from creeping into the database

Flexibility to fine tune searches by specifying multiple attributes to each atom of template and suitable combinations of these attributes using AND as well as OR conditions

Molecular fingerprint: Facilities to create, customize and save user defined molecular fingerprints and query compound databases using saved fingerprint

User friendly result tables: Search results for different databases displayed in different sections of the output window as tables that support mathematical and other operations like sorting

ChemXplor™ Features

Database building and customization facilities for users' own data in line with their research requirements

Store every detail of the work including templates, queries (search conditions) and searched results from different databases to avoid work repetition

Automatic checks for molecular consistency are available for consistency checks during database creation itself

Rapid querying on multiple databases is possible through exhaustive search functions provided for one shot searches based on 2D substructures, 3D substructures, molecular similarities or molecular descriptors

Molecular Fingerprint creation with user-defined molecular parameters including customization and save the finger-print facility for future querying using the fingerprint

Elevated searches for advanced searches like pharmacophore based searches and receptor based searches

System Requirements

The following lists the supported operating systems and minimum hardware requirements:

Operating Systems	Windows® NT/2000/XP
Optional Operating system:	Windows Vista®
Recommended Hardware Minimum free hard disk space: 1 GB Minimum required memory: 1 GB (2 GB if operating with Windows Vista) Operating system version numbers are the suggested minimum versions.
Graphic Cards	The majority of graphic cards that support hardware-accelerated OpenGL.

Pricing

ChemXplor™ Suite is available with Licensing Term of 1 Year or Licensing Term of 3 Years. The Pricing for the following License-Areas are available under request. Feel free to contact us for pricing. Industry and ‘for – profit’ Research Organizations (Commercial) Government, Semi-Government and private ‘not-for-profit’ Research Organizations Academic, Universities, Colleges, High School etc. This software is available with Volume or Site License Option with major discounts. Contact us for a price quote.

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